<?php
/**
 * File.php
 * 
 * Description of the file
 * @author Robert Schmidt <robert@wildpack.de>
 * @version 0.1
 * @package wildpack
 * @subpackage 
 */

include_once('../src/PhProt.php');

$pp = new PhProt();
$pp->using('ui');

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	),array('mass' => 1539.706, 'intensity' => 2.6
	),array('mass' => 1542.508, 'intensity' => 254.5
	),array('mass' => 1543.664, 'intensity' => 202.1
	),array('mass' => 1544.755, 'intensity' => 77.4
	),array('mass' => 1545.566, 'intensity' => 31.3
	),array('mass' => 1546.698, 'intensity' => 2.5
	),array('mass' => 1551.909, 'intensity' => 3.9
	),array('mass' => 1561.668, 'intensity' => 11.5
	),array('mass' => 1562.745, 'intensity' => 144.8
	),array('mass' => 1563.755, 'intensity' => 105.8
	),array('mass' => 1564.578, 'intensity' => 55.2
	),array('mass' => 1572.796, 'intensity' => 5.2
	),array('mass' => 1581.606, 'intensity' => 17.0
	),array('mass' => 1582.585, 'intensity' => 13.2
	),array('mass' => 1591.011, 'intensity' => 5.0
	),array('mass' => 1596.411, 'intensity' => 4.9
	),array('mass' => 1599.802, 'intensity' => 80.8
	),array('mass' => 1600.574, 'intensity' => 165.1
	),array('mass' => 1601.594, 'intensity' => 20.4
	),array('mass' => 1603.747, 'intensity' => 7.4
	),array('mass' => 1604.646, 'intensity' => 18.3
	),array('mass' => 1609.550, 'intensity' => 4.1
	),array('mass' => 1619.133, 'intensity' => 20.3
	),array('mass' => 1620.427, 'intensity' => 4.9
	),array('mass' => 1663.376, 'intensity' => 1.8
	),array('mass' => 1666.933, 'intensity' => 4.2
	),array('mass' => 1692.108, 'intensity' => 15.4
	),array('mass' => 1699.823, 'intensity' => 5.6
	),array('mass' => 1700.728, 'intensity' => 9.0
	),array('mass' => 1702.317, 'intensity' => 9.0
	),array('mass' => 1714.220, 'intensity' => 1.6
	),array('mass' => 1714.999, 'intensity' => 5.4
	),array('mass' => 1715.978, 'intensity' => 6.0)
);

$pep = new Peptide();
$pep->Sequence = 'HGYIGEFEYVDDHR';
$pep->NTerminus = 'H';
$pep->CTerminus = 'OH';

$strIon = 'b';
$ic = new IonCalculator(array(
	'peptide' => $pep,
	'maxcharge' => 2,
	'weighttype' => 'monoisotopic',
	'neutralloss' => array('H2O', 'NH3'),
	'customtemplate' => '{ion}{index} +{charge} {flag}'
));

//print('<h3>Testing</h3>');
//print('Peptide: '.$pep->Sequence.'<br />');

$arrB = $ic->calculateIon('b');
$arrY = $ic->calculateIon('y');
$arrAll = $arrB + $arrY;

$spec = new Spectrum(array(
	'spectrum' => $arrSpectrum,
	'peptide' => $pep
));

$arrAnnot = $spec->annotateSpectrum($arrAll, 'mass', 'intensity', 'custom', 300, 'ppm');


$objSpecUi = new SpectrumUi(array(
	'drawer' => new PChartDrawer(array(
		'width' => 900,
		'height' => 400,
		'is3D' => false,
		'colors' => array('#888', '#00f'),
		'legend' => 'none'
	)),
	//renderTo: Ext.get('spec'),
	'spectrum' => $arrAnnot,
	'annotationproperty' => 'custom'
));
$objSpecUi->draw();	


/* End of file file.php */
/* Location: ./path/file.php */ 